SCHEMBL8064045

SCHEMBL8064045

N=C(N)NCCC[C@H](NC(=O)CNNCCC(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 7/20 0.55
CNR1 P21554 2/20 0.40
TPSAB1 Q15661 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
EPHX2 P34913 1/20 0.39
CNR2 P34972 1/20 0.39
CASR P41180 2/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8069663 0.86 C3AR1 (0.47) C3AR1CNR1
SCHEMBL6801489 0.85 C3AR1 (0.61) C3AR1FNTAFNTBPGGT1B
SCHEMBL30139852 0.81 C3AR1 (0.51) C3AR1NPY1RNPY2RNPY4RNPY5R
SCHEMBL1568736 0.81 C3AR1 (0.83) C3AR1FNTAFNTBPGGT1B
SCHEMBL1568729 0.81 C3AR1 (0.83) C3AR1FNTAFNTBPGGT1B
SCHEMBL1694411 0.81 C3AR1 (0.50) C3AR1
SCHEMBL2750013 0.81 C3AR1 (0.50) C3AR1
SCHEMBL7788468 0.80 C3AR1 (0.50) C3AR1FNTAFNTBPGGT1BNPY1R
SCHEMBL7786368 0.80 FOLH1 (0.49) C3AR1FNTAFNTBNPY1RNPY2R
SCHEMBL7786354 0.80 FOLH1 (0.49) C3AR1FNTAFNTBNPY1RNPY2R

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1017664-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 EP claimed
WO-1999015490-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO claimed
EP-1017664-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 2000-07-12 EP disclosed
WO-1999015490-A1 C3A RECEPTOR LIGANDS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-01 WO disclosed